Crystallography Open Database

Information card for entry 7049801

Preview

Coordinates	7049801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Ag B Cl2 F4 N2 O3 P2
Calculated formula	C52 H46 Ag B Cl2 F4 N2 O3 P2
Title of publication	Photoluminescent Cu(i) vs. Ag(i) complexes: slowing down emission in Cu(i) complexes by pentacoordinate low-lying excited states.
Authors of publication	Carbonell-Vilar, José M; Fresta, Elisa; Armentano, Donatella; Costa, Rubén D; Viciano-Chumillas, Marta; Cano, Joan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	26
Pages of publication	9765 - 9775
a	10.365 ± 0.004 Å
b	14.192 ± 0.006 Å
c	17.735 ± 0.006 Å
α	99.343 ± 0.019°
β	99.031 ± 0.019°
γ	98.17 ± 0.02°
Cell volume	2504.4 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224071 (current)	2019-11-07	cif/ Updating files of 7049801 Original log message: Adding full bibliography for 7049801.cif.	7049801.cif
214734	2019-04-24	cif/ Adding structures of 7049801 via cif-deposit CGI script.	7049801.cif